SCHEMBL650669

SCHEMBL650669

CCCCn1c(-c2ccccc2)nc(-c2cccc(F)c2)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LTA4H P09960 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
CTNNB1 P35222 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL649578 0.93 C5AR1 (0.53) C5AR1PTGESALOX5PTGDR2LTB4R2
SCHEMBL650916 0.93 C5AR1 (0.58) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL648481 0.93 C5AR1 (0.48) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL650741 0.93 C5AR1 (0.52) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL650570 0.90 C5AR1 (0.55) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL651251 0.90 C5AR1 (0.49) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL652457 0.89 C5AR1 (0.53) C5AR1PTGESALOX5PTGDR2CYP2C8
SCHEMBL5135637 0.89 C5AR1 (0.65) C5AR1PTGESALOX5LTA4HTAS2R14
SCHEMBL651004 0.88 C5AR1 (0.64) C5AR1ALDH1A1TSHRHPGDPPARG
SCHEMBL1913102 0.88 C5AR1 (0.52) C5AR1PTGESALOX5PTGDR2CYP2C8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 C5AR1 1/4885PTGES 1213/4885ALOX5 270/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.